boric acid;N-methylmethanamine

C2H37B10NO30 — CID 173322246

IUPACboric acid;N-methylmethanamine
SMILESCNC.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O
InChIInChI=1S/C2H7N.10BH3O3/c1-3-2;10*2-1(3)4/h3H,1-2H3;10*2-4H
InChIKeyNGALZOCQFPAPDO-UHFFFAOYSA-N
MW663.42 g/mol
LogP-20.68
Rot. Bonds

About boric acid;N-methylmethanamine

boric acid;N-methylmethanamine (PubChem CID 173322246) has the molecular formula C2H37B10NO30 and a molecular weight of 663.42 g/mol. Its IUPAC name is boric acid;N-methylmethanamine.

Molecular Properties

Compound Nameboric acid;N-methylmethanamine
PubChem CID173322246
Molecular FormulaC2H37B10NO30
Molecular Weight663.42 g/mol
Exact Mass665.23
IUPAC Nameboric acid;N-methylmethanamine
SMILESCNC.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O
InChIInChI=1S/C2H7N.10BH3O3/c1-3-2;10*2-1(3)4/h3H,1-2H3;10*2-4H
InChIKeyNGALZOCQFPAPDO-UHFFFAOYSA-N
XLogP-20.68
TPSA618.93 Ų
H-Bond Donors31
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500663.42
LogP ≤ 5-20.68
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

boric acid;N-methylmethanamine
CID 87105713
aluminum;boric acid;N-methylmethanamine;borate
CID 172779602
boric acid;methylaminomethanol
CID 161004501
N-methylmethanamine
CID 674
boric acid
CID 173080807
N-(113C)methyl(113C)methan(15N)amine
CID 71309073
boric acid;yttrium
CID 173395143
CID 175866871
CID 175866871
boric acid;scandium
CID 173028800
boric acid;dihydrochloride
CID 159252870
bis(N-methylmethanamine);tungsten
CID 160565372
boric acid;gold
CID 57461570

Frequently Asked Questions

What is the IUPAC name of boric acid;N-methylmethanamine?
The IUPAC name of boric acid;N-methylmethanamine (CID 173322246) is boric acid;N-methylmethanamine.
What is the SMILES notation for boric acid;N-methylmethanamine?
The canonical SMILES for boric acid;N-methylmethanamine is CNC.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.
What is the InChIKey of boric acid;N-methylmethanamine?
The InChIKey is NGALZOCQFPAPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.10BH3O3/c1-3-2;10*2-1(3)4/h3H,1-2H3;10*2-4H.
What are the key properties of boric acid;N-methylmethanamine?
boric acid;N-methylmethanamine has a molecular weight of 663.42 g/mol, XLogP of -20.68, 0 rotatable bonds, 31 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;N-methylmethanamine is sourced from PubChem (CID 173322246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).